# generated using pymatgen
data_ThNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27902146
_cell_length_b   5.69723305
_cell_length_c   14.06852249
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNi
_chemical_formula_sum   'Th8 Ni8'
_cell_volume   342.97063594
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.25000000  0.54766545  0.28337765  1.0
  Th  Th1  1  0.75000000  0.45233455  0.71662235  1.0
  Th  Th2  1  0.25000000  0.95233455  0.78337765  1.0
  Th  Th3  1  0.25000000  0.75375472  0.53352416  1.0
  Th  Th4  1  0.25000000  0.74624528  0.03352416  1.0
  Th  Th5  1  0.75000000  0.25375372  0.96647584  1.0
  Th  Th6  1  0.75000000  0.04766545  0.21662235  1.0
  Th  Th7  1  0.75000000  0.24624528  0.46647584  1.0
  Ni  Ni8  1  0.25000000  0.03985136  0.35521434  1.0
  Ni  Ni9  1  0.75000000  0.53985136  0.14478566  1.0
  Ni  Ni10  1  0.75000000  0.76068597  0.39617098  1.0
  Ni  Ni11  1  0.25000000  0.46014864  0.85521434  1.0
  Ni  Ni12  1  0.75000000  0.96014864  0.64478566  1.0
  Ni  Ni13  1  0.75000000  0.73931403  0.89617098  1.0
  Ni  Ni14  1  0.25000000  0.26068597  0.10382902  1.0
  Ni  Ni15  1  0.25000000  0.23931403  0.60382902  1.0